N-[(3S,4S)-1-[5-(3-chloro-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-3-hydroxypiperidin-4-yl]-3-methylbutanamide

C24H30ClN5O3 — CID 134436319

IUPACN-[(3S,4S)-1-[5-(3-chloro-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-3-hydroxypiperidin-4-yl]-3-methylbutanamide
SMILESCCOc1cc(-c2ccc(N3CC[C@H](NC(=O)CC(C)C)[C@@H](O)C3)nc2)c2c(Cl)cnn2c1
InChIInChI=1S/C24H30ClN5O3/c1-4-33-17-10-18(24-19(25)12-27-30(24)13-17)16-5-6-22(26-11-16)29-8-7-20(21(31)14-29)28-23(32)9-15(2)3/h5-6,10-13,15,20-21,31H,4,7-9,14H2,1-3H3,(H,28,32)/t20-,21-/m0/s1
InChIKeyGPAUJVZZPPVGIV-SFTDATJTSA-N
MW471.99 g/mol
LogP3.55
Rot. Bonds7

About N-[(3S,4S)-1-[5-(3-chloro-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-3-hydroxypiperidin-4-yl]-3-methylbutanamide

N-[(3S,4S)-1-[5-(3-chloro-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-3-hydroxypiperidin-4-yl]-3-methylbutanamide (PubChem CID 134436319) has the molecular formula C24H30ClN5O3 and a molecular weight of 471.99 g/mol. Its IUPAC name is N-[(3S,4S)-1-[5-(3-chloro-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-3-hydroxypiperidin-4-yl]-3-methylbutanamide.

Molecular Properties

Compound NameN-[(3S,4S)-1-[5-(3-chloro-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-3-hydroxypiperidin-4-yl]-3-methylbutanamide
PubChem CID134436319
Molecular FormulaC24H30ClN5O3
Molecular Weight471.99 g/mol
Exact Mass471.20
IUPAC NameN-[(3S,4S)-1-[5-(3-chloro-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-3-hydroxypiperidin-4-yl]-3-methylbutanamide
SMILESCCOc1cc(-c2ccc(N3CC[C@H](NC(=O)CC(C)C)[C@@H](O)C3)nc2)c2c(Cl)cnn2c1
InChIInChI=1S/C24H30ClN5O3/c1-4-33-17-10-18(24-19(25)12-27-30(24)13-17)16-5-6-22(26-11-16)29-8-7-20(21(31)14-29)28-23(32)9-15(2)3/h5-6,10-13,15,20-21,31H,4,7-9,14H2,1-3H3,(H,28,32)/t20-,21-/m0/s1
InChIKeyGPAUJVZZPPVGIV-SFTDATJTSA-N
XLogP3.55
TPSA91.99 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.99
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-[(3S,4S)-1-[5-(3-chloro-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-3-hydroxypiperidin-4-yl]-3-methylbutanamide with MolForge

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Related Compounds

3-[1-(2-Chloro-5-fluorophenyl)ethoxy]-5-pyrazolo[1,5-a]pyridin-3-ylpyridin-2-amine
CID 146185205
Unecritinib
CID 71506874
4-[2-[(3R,4S)-4-[(7-chloro-1H-pyrazolo[4,5-c]pyridin-4-yl)methylamino]-3-hydroxypiperidin-1-yl]ethyl]-6-methoxypyrido[2,3-b]pyrazin-3-one
CID 91800670
6-[5-[(2-methylpyrazol-3-yl)methoxy]-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
CID 117667709
US10144734, Example 105
CID 134434589
US10144734, Example 477
CID 134434793
US10144734, Example 522
CID 134434808
US10144734, Example 586
CID 134434872
US10144734, Example 323
CID 134435063
US10144734, Example 436
CID 134435323
US10144734, Example 493
CID 134435352
US10144734, Example 495
CID 134435412

Frequently Asked Questions

What is the IUPAC name of N-[(3S,4S)-1-[5-(3-chloro-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-3-hydroxypiperidin-4-yl]-3-methylbutanamide?
The IUPAC name of N-[(3S,4S)-1-[5-(3-chloro-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-3-hydroxypiperidin-4-yl]-3-methylbutanamide (CID 134436319) is N-[(3S,4S)-1-[5-(3-chloro-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-3-hydroxypiperidin-4-yl]-3-methylbutanamide.
What is the SMILES notation for N-[(3S,4S)-1-[5-(3-chloro-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-3-hydroxypiperidin-4-yl]-3-methylbutanamide?
The canonical SMILES for N-[(3S,4S)-1-[5-(3-chloro-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-3-hydroxypiperidin-4-yl]-3-methylbutanamide is CCOc1cc(-c2ccc(N3CC[C@H](NC(=O)CC(C)C)[C@@H](O)C3)nc2)c2c(Cl)cnn2c1.
What is the InChIKey of N-[(3S,4S)-1-[5-(3-chloro-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-3-hydroxypiperidin-4-yl]-3-methylbutanamide?
The InChIKey is GPAUJVZZPPVGIV-SFTDATJTSA-N. The full InChI is InChI=1S/C24H30ClN5O3/c1-4-33-17-10-18(24-19(25)12-27-30(24)13-17)16-5-6-22(26-11-16)29-8-7-20(21(31)14-29)28-23(32)9-15(2)3/h5-6,10-13,15,20-21,31H,4,7-9,14H2,1-3H3,(H,28,32)/t20-,21-/m0/s1.
What are the key properties of N-[(3S,4S)-1-[5-(3-chloro-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-3-hydroxypiperidin-4-yl]-3-methylbutanamide?
N-[(3S,4S)-1-[5-(3-chloro-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-3-hydroxypiperidin-4-yl]-3-methylbutanamide has a molecular weight of 471.99 g/mol, XLogP of 3.55, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S,4S)-1-[5-(3-chloro-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-3-hydroxypiperidin-4-yl]-3-methylbutanamide is sourced from PubChem (CID 134436319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).